SCHEMBL24257586

SCHEMBL24257586

COc1ccc(COc2c(C#N)ncc(-c3ccc4ncccc4c3)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CLK1 P49759 2/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAT2A P31153 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CNR1 P21554 1/20 0.39
ADORA2A P29274 2/20 0.38
TGFBR1 P36897 1/20 0.38
MET P08581 2/20 0.37
CCKAR P32238 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
TLR8 Q9NR97 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30453400 1.00 NPC1 (0.41) NPC1RAB9ACLK1CLK2DYRK1A
SCHEMBL24257690 0.88 CNR1 (0.39) CNR1CSF1R
SCHEMBL30452359 0.88 CNR1 (0.39) CNR1CSF1R
SCHEMBL30453284 0.85 CYP11B1 (0.43) CNR1MAPT
SCHEMBL24257729 0.85 CYP11B1 (0.43) CNR1MAPT
SCHEMBL30546866 0.82 CLK1 (0.46) NPC1RAB9ACLK1CLK2DYRK1A
SCHEMBL24257819 0.81 HSD17B10 (0.43) RAB9ACNR1ADORA2AMAPTPOLB
SCHEMBL30546879 0.81 HSD17B10 (0.43) RAB9ACNR1ADORA2AMAPTPOLB
Nitrous Acid SCHEMBL29248965 0.80 CLK1 (0.44) NPC1RAB9ACLK1CLK2DYRK1A
SCHEMBL29248962 0.79 CLK1 (0.43) NPC1RAB9ACLK1CLK2DYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 NPC1 4011/4885RAB9A 739/4885CLK1 4509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.